2-Ethylhexyl bromide (HCID 86804)

Namen und Bezeichner

Bevorzugter Name: 2-Ethylhexyl bromide
IUPAC: 3-(bromomethyl)heptane
Lokaler Name: 3-(Brommethyl)heptan
Englischer Name: 2-Ethylhexyl bromide
Summenformel: C8H17Br
Molmasse: 193.12

Namen und Synonyme

2-Ethylhexyl bromide3-(Bromomethyl)heptane18908-66-21-Bromo-2-ethylhexaneHeptane, 3-(bromomethyl)-2-EthylhexylbromideMFCD000002202-Ethyl-1-hexyl bromide1398065-97-8N280JW4C4W2-Ethyl-1-hexyl Bromide; 2-Ethylhexyl Bromide; 3-(Bromomethyl)heptane3-bromomethylheptane

Weitere Namen anzeigen

OCTYL BROMIDEBromoctaneBROMO ISOOCTANEISO-OCTYL BROMIDEEthylhexyl broMid1-BROMO ISO OCTANE

EINECS 242-659-92-Ethyl-bromohexane3-bromomethyl-heptane1-bromo-2 ethylhexane2-Ethylhexylhydrobromide3-(bromomethyl)-heptane1-bromo-2-ethyl hexane3-(bromo-methyl)-heptane

Datenbank-Bezeichner

CAS: 18908-66-2
PubChem CID: 86804
DTXSID: DTXSID80885074
UNII: N280JW4C4W
EC Number: 242-659-9
Nikkaji: J103.946F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,5
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 5
Schwere Atome: 9
Formalladung: 0
Komplexität: 52,5

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Halogenated Aliphatics, Saturated

SpringerMaterials PropertiesDielectric constant

Density1.086 @25 °C

Physical DescriptionColorless liquid; [Sigma-Aldrich MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: -55 °C · -55°C (estimate)
Siedepunkt: 75 · 75-77 °C16 mm Hg(lit.)
Dichte: 1.086 g/mL · 1.086 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.4538(lit.)
Flammpunkt: 157 °F · 157 °F
storage temp.: 2 · 2-8°C
Löslichkeit: Chloroform, Ethyl Acetate
Aggregatzustand: Liquid
Wichte: 1.12 · 1.12
Farbe: Clear colorless to yellow
Wasserlöslichkeit: insoluble
BRN: 1098313 · 1098313
Dielectric constant: 5 · 5.0(Ambient)
InChI: 1S/C8H17Br/c1-3-5-6-8(4-2)7-9/h8H,3-7H2,1-2H3
InChIKey: NZWIYPLSXWYKLH-UHFFFAOYSA-N
SMILES: CCCCC(CC)CBr
CAS Datenbank: 18908 · 18908-66-2(CAS DataBase Reference)
NIST chemische Informationen: 3 · Heptane, 3-(bromomethyl)-(18908-66-2)
EPA chemische Informationen: 3 · Heptane, 3-(bromomethyl)- (18908-66-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 19% (37 of 195) of reports.

Warning

H302 (55.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 195 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Status: Active Update: 25-11-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/19046

3-(Bromomethyl)heptane: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryStabilized with 1% potassium carbonate; A skin and strong eye irritant; [Sigma-Aldrich MSDS] See 1-Bromohexane.

Hazard Classes and CategoriesAcute Tox. 4 (55.9%)

Sicherheit und Schutzausrüstung

Protective Action Criteria (PAC) · 3 Einträge

12 [mg/m3]

130 [mg/m3]

790 [mg/m3]

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29033036
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39-37/39
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationHeptane, 3-(bromomethyl)-: ACTIVE

Anwendungen

Verwenden2-Ethylhexyl bromide has been used in the synthesis of:methoxy-4-(2-ethylhexyloxy)benzenephotovoltaic conjugated polymer, having benzo[1,2-b:4,5-b′]difuran building block1-bromo-4-(2′-ethylhexyloxy)benzene3